methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate

C11H16N2O4S — CID 114612610

IUPACmethyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(N)(=O)=O)cn1C1CCCC1
InChIInChI=1S/C11H16N2O4S/c1-17-11(14)10-6-9(18(12,15)16)7-13(10)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H2,12,15,16)
InChIKeyPZHQZZUUKAKJRD-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.04
Rot. Bonds3

About methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate

methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 114612610) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID114612610
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(N)(=O)=O)cn1C1CCCC1
InChIInChI=1S/C11H16N2O4S/c1-17-11(14)10-6-9(18(12,15)16)7-13(10)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H2,12,15,16)
InChIKeyPZHQZZUUKAKJRD-UHFFFAOYSA-N
XLogP1.04
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612607
1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612783
1-cyclobutyl-N-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611983
1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611999
N-(cyclopentylmethyl)-1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612168
ethyl 1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxylate
CID 114612617
1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612010
oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612767
oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate
CID 102608651
N-cyclopropyl-1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114611940
1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612371
1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611971

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate (CID 114612610) is methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate is COC(=O)c1cc(S(N)(=O)=O)cn1C1CCCC1.
What is the InChIKey of methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is PZHQZZUUKAKJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-17-11(14)10-6-9(18(12,15)16)7-13(10)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H2,12,15,16).
What are the key properties of methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate?
methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 114612610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).